Import Mass Spectra in a mzXML Data Format

Import of mass spectral data files in the mzXML format

This function allows loading of spectral data files stored in a mzXML data format which in principle allows analyzing also data obtained by the VITEK® MS solution from bioMérieux.

The mzXML import function of MicrobeMS is based on the Matlab routine readmzxml (requires the Bioinformatics Toolbox of Matlab!) and is available either from the File menu bar or by the shortcut combination <Ctrl>+<X>. Select the spectral data files and press the button open to select and import mzXML formatted MALDI-ToF mass spectra.

In some cases it has been noted that unprocessed mass spectra acquired by Shimadzu MS systems may exhibit only low spectral signal-to-noise (S/N) levels, possible because online smooth (aka hardware smooth) has not been carried out. In this instances, it might be useful to apply the Savitzky-Golay smoothing procedure with more than 30 smoothing points after data import.